4,4'-BIPHENYLDISULFONYL CHLORIDE(3406-84-6) 13C NMR
Product Name4,4'-BIPHENYLDISULFONYL CHLORIDE
CAS3406-84-6
Molecular FormulaC12H8Cl2O4S2
Molecular Weight351.23
InChIInChI=1S/C12H8Cl2O4S2/c13-19(15,16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(14,17)18/h1-8H
InChIKey OTFAWEIFBPUXOH-UHFFFAOYSA-N
SmilesC1(C2=CC=C(S(Cl)(=O)=O)C=C2)=CC=C(S(Cl)(=O)=O)C=C1
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MassMS-NW-6211 4,4'-biphenyldisulfonyl dichloride C12H8Cl2O4S2 (Mass of molecular ion: 350)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
18.0 4.5 27.0 1.2 28.0 1.4 35.0 1.2 36.0 7.6 38.0 2.5 39.0 2.6 48.0 4.6 50.0 5.3 51.0 4.6 62.0 3.0 63.0 13.3 63.5 1.1 64.0 9.2 69.0 1.1 74.0 4.3 75.0 8.1 75.5 2.4 76.0 32.1 76.5 3.9 77.0 2.5 86.0 1.7 87.0 2.6 88.0 1.0 89.0 1.3 91.0 1.0 98.0 1.6 99.0 1.9 100.0 2.7 101.0 2.1 102.0 3.2 108.0 5.5 111.0 1.4 113.0 1.8 114.0 1.1 125.0 2.3 126.0 7.6 127.0 1.4 139.0 5.8 140.0 3.6 149.0 1.2 150.0 10.1 151.0 29.4 152.0 100.0 153.0 14.0 154.0 1.6 167.0 1.5 168.0 2.9 186.0 1.4 187.0 2.5 188.0 2.1 200.0 1.8 216.0 1.5 251.0 37.7 252.0 5.8 253.0 14.4 254.0 2.3 267.0 1.5 299.0 1.5 315.0 49.5 316.0 7.6 317.0 22.0 318.0 3.4 319.0 2.1 350.0 28.8 351.0 4.5 352.0 22.0 353.0 3.4 354.0 5.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C12 H8 Cl2 O4 S2 0.040 g : 0.5 ml DMSO-d6 4,4'-biphenyldisulfonyl dichloride 
Assign. Shift(ppm)
A *1 7.747 B *1 7.690
Hz ppm Int.3101.62 7.761 513 3093.50 7.741 1000 3076.41 7.698 934 3068.08 7.677 508
in DMSO-d6
KBr disc
nujol mull
